1-[(3-carbamothioylphenyl)methyl]-N-[[4-(dimethylaminomethyl)phenyl]methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-N-[[4-(dimethylaminomethyl)phenyl]methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-N-[[4-(dimethylaminomethyl)phenyl]methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamothioylphenyl)methyl]-N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-N-[[4-(dimethylaminomethyl)phenyl]methyl]indole-2-carboxamide Traditional Name: N-[4-(dimethylaminomethyl)benzyl]-1-(3-thiocarbamoylbenzyl)indole-2-carboxamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

InChI

InChI=1S/C27H28N4OS/c1-30(2)17-20-12-10-19(11-13-20)16-29-27(32)25-15-22-7-3-4-9-24(22)31(25)18-21-6-5-8-23(14-21)26(28)33/h3-15H,16-18H2,1-2H3,(H2,28,33)(H,29,32)