4-(1H-indol-3-ylcarbonyl)-N-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]piperazine-1-carboxamide

Systemtic Name: 4-(1H-indol-3-ylcarbonyl)-N-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]piperazine-1-carboxamide Openeye Name: 4-(1H-indole-3-carbonyl)-N-[3-oxo-3-(thiazol-2-ylamino)propyl]piperazine-1-carboxamide CAS Name: 4-[1H-indol-3-yl(oxo)methyl]-N-[3-oxo-3-(2-thiazolylamino)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(1H-indole-3-carbonyl)-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperazine-1-carboxamide Traditional Name: 4-(1H-indole-3-carbonyl)-N-[3-keto-3-(thiazol-2-ylamino)propyl]piperazine-1-carboxamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CNC3=CC=CC=C32)C(=O)NCCC(=O)NC4=NC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CNC3=CC=CC=C32)C(=O)NCCC(=O)NC4=NC=CS4

InChI

InChI=1S/C20H22N6O3S/c27-17(24-19-21-7-12-30-19)5-6-22-20(29)26-10-8-25(9-11-26)18(28)15-13-23-16-4-2-1-3-14(15)16/h1-4,7,12-13,23H,5-6,8-11H2,(H,22,29)(H,21,24,27)