methyl 4-[(3-heptyl-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-heptyl-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate CAS Name: 4-[[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinan-6-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-heptyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid methyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H31N3O4S/c1-3-4-5-6-10-17-29-23(30)18-22(34-26(29)28-20-11-8-7-9-12-20)24(31)27-21-15-13-19(14-16-21)25(32)33-2/h7-9,11-16,22H,3-6,10,17-18H2,1-2H3,(H,27,31)