1-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-2,3-dihydroindole-4-carboxamide

Systemtic Name: 1-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-2,3-dihydroindole-4-carboxamide Openeye Name: 1-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)indoline-4-carboxamide CAS Name: 1-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-2,3-dihydroindole-4-carboxamide IUPAC Name: 1-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-2,3-dihydroindole-4-carboxamide Traditional Name: 1-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)indoline-4-carboxamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C3CCN(C3=CC=C2)NCC(CS)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C3CCN(C3=CC=C2)NC[C@H](CS)N)C

InChI

InChI=1S/C20H26N4OS/c1-13-5-3-7-18(14(13)2)23-20(25)17-6-4-8-19-16(17)9-10-24(19)22-11-15(21)12-26/h3-8,15,22,26H,9-12,21H2,1-2H3,(H,23,25)/t15-/m1/s1