N-[4-(aminomethyl)cyclohepta[b]indol-7-yl]-4-(3-sulfanylidenepropyl)benzamide

Systemtic Name: N-[4-(aminomethyl)cyclohepta[b]indol-7-yl]-4-(3-sulfanylidenepropyl)benzamide Openeye Name: N-[4-(aminomethyl)cyclohepta[b]indol-7-yl]-4-(3-thioxopropyl)benzamide CAS Name: N-[4-(aminomethyl)-7-cyclohepta[b]indolyl]-4-(3-sulfanylidenepropyl)benzamide IUPAC Name: N-[4-(aminomethyl)cyclohepta[b]indol-7-yl]-4-(3-sulfanylidenepropyl)benzamide Traditional Name: N-[4-(aminomethyl)cyclohept[b]indol-7-yl]-4-(3-thioxopropyl)benzamide Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=CC=C(C3=NC2=CC(=C1)NC(=O)C4=CC=C(C=C4)CCC=S)CN

Isomeric SMILES

C1=CC2=C3C=CC=C(C3=NC2=CC(=C1)NC(=O)C4=CC=C(C=C4)CCC=S)CN

InChI

InChI=1S/C24H21N3OS/c25-15-18-5-1-8-21-20-7-2-6-19(14-22(20)27-23(18)21)26-24(28)17-11-9-16(10-12-17)4-3-13-29/h1-2,5-14H,3-4,15,25H2,(H,26,28)