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

Systemtic Name: 4-(1H-indol-3-ylcarbonyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-2-methyl-1-(thiazol-2-ylcarbamoyl)propyl]piperazine-1-carboxamide CAS Name: 4-[1H-indol-3-yl(oxo)methyl]-N-[(2S)-3-methyl-1-oxo-1-(2-thiazolylamino)butan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(1H-indole-3-carbonyl)-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(1H-indole-3-carbonyl)-N-[(1S)-2-methyl-1-(thiazol-2-ylcarbamoyl)propyl]piperazine-1-carboxamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3S/c1-14(2)18(19(29)26-21-23-7-12-32-21)25-22(31)28-10-8-27(9-11-28)20(30)16-13-24-17-6-4-3-5-15(16)17/h3-7,12-14,18,24H,8-11H2,1-2H3,(H,25,31)(H,23,26,29)/t18-/m0/s1