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

Systemtic Name: 4-(1H-indol-3-ylcarbonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-3-methylsulfanyl-1-(thiazol-2-ylcarbamoyl)propyl]piperazine-1-carboxamide CAS Name: 4-[1H-indol-3-yl(oxo)methyl]-N-[(2S)-4-(methylthio)-1-oxo-1-(2-thiazolylamino)butan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(1H-indole-3-carbonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-3-(methylthio)-1-(thiazol-2-ylcarbamoyl)propyl]piperazine-1-carboxamide Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NC=CS1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=NC=CS1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H26N6O3S2/c1-32-12-6-18(19(29)26-21-23-7-13-33-21)25-22(31)28-10-8-27(9-11-28)20(30)16-14-24-17-5-3-2-4-15(16)17/h2-5,7,13-14,18,24H,6,8-12H2,1H3,(H,25,31)(H,23,26,29)/t18-/m0/s1