3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-[(3-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-[(3-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-[(3-nitrophenyl)methyl]thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-[(3-nitrophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-[(3-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(3-nitrobenzyl)-4-thiazoline-4-carboxamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-])CCCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-])CCCCCN)C

InChI

InChI=1S/C24H29N5O3S/c1-17-11-18(2)13-20(12-17)27-24-28(10-5-3-4-9-25)22(16-33-24)23(30)26-15-19-7-6-8-21(14-19)29(31)32/h6-8,11-14,16H,3-5,9-10,15,25H2,1-2H3,(H,26,30)