(3S)-2-oxidanylidene-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indole-1-carbothioamide

Systemtic Name: (3S)-2-oxidanylidene-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indole-1-carbothioamide Openeye Name: (3S)-2-oxo-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indoline-1-carbothioamide CAS Name: (3S)-2-oxo-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indole-1-carbothioamide IUPAC Name: (3S)-2-oxo-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3H-indole-1-carbothioamide Traditional Name: (3S)-2-keto-N-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indoline-1-carbothioamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2C3=CC=CC=C3N(C2=O)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)[C@@H]2C3=CC=CC=C3N(C2=O)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-20-19(17-12-5-2-8-14-22-17)16-11-6-7-13-18(16)24(20)21(26)23-15-9-3-1-4-10-15/h1,3-4,6-7,9-11,13,19H,2,5,8,12,14H2,(H,23,26)/t19-/m0/s1