3-(2-chlorophenyl)-1-(3-methoxypropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea

Systemtic Name: 3-(2-chlorophenyl)-1-(3-methoxypropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea Openeye Name: 3-(2-chlorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-(2-chlorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea IUPAC Name: 3-(2-chlorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea Traditional Name: 3-(2-chlorophenyl)-1-[(2-keto-1H-quinolin-4-yl)methyl]-1-(3-methoxypropyl)thiourea Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-27-12-6-11-25(21(28)24-19-10-5-3-8-17(19)22)14-15-13-20(26)23-18-9-4-2-7-16(15)18/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,26)(H,24,28)