3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1,2-diphenylethyl)-4-thiazoline-4-carboxamide Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)CCCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)CCCCCN)C

InChI

InChI=1S/C31H36N4OS/c1-23-18-24(2)20-27(19-23)33-31-35(17-11-5-10-16-32)29(22-37-31)30(36)34-28(26-14-8-4-9-15-26)21-25-12-6-3-7-13-25/h3-4,6-9,12-15,18-20,22,28H,5,10-11,16-17,21,32H2,1-2H3,(H,34,36)