3-(4-azanylbutyl)-2-(4-bromophenyl)imino-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 3-(4-azanylbutyl)-2-(4-bromophenyl)imino-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 3-(4-aminobutyl)-N-benzhydryl-2-(4-bromophenyl)imino-thiazole-4-carboxamide CAS Name: 3-(4-aminobutyl)-2-(4-bromophenyl)imino-N-(diphenylmethyl)-4-thiazolecarboxamide IUPAC Name: 3-(4-aminobutyl)-N-benzhydryl-2-(4-bromophenyl)imino-1,3-thiazole-4-carboxamide Traditional Name: 3-(4-aminobutyl)-N-benzhydryl-2-(4-bromophenyl)imino-4-thiazoline-4-carboxamide Formula: C27H27BrN4OS MolecularWeight: 535.49848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CSC(=NC4=CC=C(C=C4)Br)N3CCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CSC(=NC4=CC=C(C=C4)Br)N3CCCCN

InChI

InChI=1S/C27H27BrN4OS/c28-22-13-15-23(16-14-22)30-27-32(18-8-7-17-29)24(19-34-27)26(33)31-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-16,19,25H,7-8,17-18,29H2,(H,31,33)