2-(2,2-diphenylethanoylamino)-3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(2,2-diphenylethanoylamino)-3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C33H28N4O2S MolecularWeight: 544.66602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H28N4O2S/c1-21-16-17-27-29(18-21)40-33(36-27)37-31(38)28(19-24-20-34-26-15-9-8-14-25(24)26)35-32(39)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-18,20,28,30,34H,19H2,1H3,(H,35,39)(H,36,37,38)