2-[(4-chlorophenyl)carbamothioylamino]-3-(1H-indol-3-yl)-N,N-dipentyl-propanamide

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-(1H-indol-3-yl)-N,N-dipentyl-propanamide Openeye Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-(1H-indol-3-yl)-N,N-dipentyl-propanamide CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-(1H-indol-3-yl)-N,N-dipentylpropanamide IUPAC Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-(1H-indol-3-yl)-N,N-dipentylpropanamide Traditional Name: N,N-diamyl-2-[(4-chlorophenyl)thiocarbamoylamino]-3-(1H-indol-3-yl)propionamide Formula: C28H37ClN4OS MolecularWeight: 513.13758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H37ClN4OS/c1-3-5-9-17-33(18-10-6-4-2)27(34)26(19-21-20-30-25-12-8-7-11-24(21)25)32-28(35)31-23-15-13-22(29)14-16-23/h7-8,11-16,20,26,30H,3-6,9-10,17-19H2,1-2H3,(H2,31,32,35)