4-(1H-indol-3-ylcarbonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(1H-indol-3-ylcarbonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]piperazine-1-carboxamide CAS Name: N-[(2S)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-4-[1H-indol-3-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-4-(1H-indole-3-carbonyl)piperazine-1-carboxamide Traditional Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-3-(methylthio)-1-(phenylcarbamoyl)propyl]piperazine-1-carboxamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H29N5O3S/c1-34-16-11-22(23(31)27-18-7-3-2-4-8-18)28-25(33)30-14-12-29(13-15-30)24(32)20-17-26-21-10-6-5-9-19(20)21/h2-10,17,22,26H,11-16H2,1H3,(H,27,31)(H,28,33)/t22-/m0/s1