1-[(3-carbamothioylphenyl)methyl]-N-[(1S)-1-phenylethyl]-5-phenylmethoxy-indole-2-carboxamide

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-N-[(1S)-1-phenylethyl]-5-phenylmethoxy-indole-2-carboxamide Openeye Name: 5-benzyloxy-1-[(3-carbamothioylphenyl)methyl]-N-[(1S)-1-phenylethyl]indole-2-carboxamide CAS Name: 1-[(3-carbamothioylphenyl)methyl]-N-[(1S)-1-phenylethyl]-5-phenylmethoxy-2-indolecarboxamide IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-N-[(1S)-1-phenylethyl]-5-phenylmethoxyindole-2-carboxamide Traditional Name: 5-benzoxy-N-[(1S)-1-phenylethyl]-1-(3-thiocarbamoylbenzyl)indole-2-carboxamide Formula: C32H29N3O2S MolecularWeight: 519.65656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=S)N)C=CC(=C3)OCC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=S)N)C=CC(=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C32H29N3O2S/c1-22(25-12-6-3-7-13-25)34-32(36)30-19-27-18-28(37-21-23-9-4-2-5-10-23)15-16-29(27)35(30)20-24-11-8-14-26(17-24)31(33)38/h2-19,22H,20-21H2,1H3,(H2,33,38)(H,34,36)/t22-/m0/s1