3-piperazin-1-ylpropyl 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxidanylidene-6H-1,3,4-thiadiazine-3-carboxylate

Systemtic Name: 3-piperazin-1-ylpropyl 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxidanylidene-6H-1,3,4-thiadiazine-3-carboxylate Openeye Name: 3-piperazin-1-ylpropyl 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylate CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylic acid 3-(1-piperazinyl)propyl ester IUPAC Name: 3-piperazin-1-ylpropyl 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylate Traditional Name: 2-keto-6-methyl-5-(1-veratroyl-3,4-dihydro-2H-quinolin-6-yl)-6H-1,3,4-thiadiazine-3-carboxylic acid 3-piperazinopropyl ester Formula: C30H37N5O6S MolecularWeight: 595.70968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C(=O)S1)C(=O)OCCCN2CCNCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1C(=NN(C(=O)S1)C(=O)OCCCN2CCNCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H37N5O6S/c1-20-27(32-35(30(38)42-20)29(37)41-17-5-13-33-15-11-31-12-16-33)22-7-9-24-21(18-22)6-4-14-34(24)28(36)23-8-10-25(39-2)26(19-23)40-3/h7-10,18-20,31H,4-6,11-17H2,1-3H3