6-methoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide

Systemtic Name: 6-methoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide Openeye Name: 6-methoxy-N-[(1S)-3-methylsulfanyl-1-(thiazol-2-ylcarbamoyl)propyl]-1H-indole-2-carboxamide CAS Name: 6-methoxy-N-[(2S)-4-(methylthio)-1-oxo-1-(2-thiazolylamino)butan-2-yl]-1H-indole-2-carboxamide IUPAC Name: 6-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide Traditional Name: 6-methoxy-N-[(1S)-3-(methylthio)-1-(thiazol-2-ylcarbamoyl)propyl]-1H-indole-2-carboxamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2)C(=O)NC(CCSC)C(=O)NC3=NC=CS3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)N[C@@H](CCSC)C(=O)NC3=NC=CS3

InChI

InChI=1S/C18H20N4O3S2/c1-25-12-4-3-11-9-15(20-14(11)10-12)17(24)21-13(5-7-26-2)16(23)22-18-19-6-8-27-18/h3-4,6,8-10,13,20H,5,7H2,1-2H3,(H,21,24)(H,19,22,23)/t13-/m0/s1