(3Z)-3-(azepan-2-ylidene)-2-oxidanylidene-N-phenyl-indole-1-carbothioamide

Systemtic Name: (3Z)-3-(azepan-2-ylidene)-2-oxidanylidene-N-phenyl-indole-1-carbothioamide Openeye Name: (3Z)-3-(azepan-2-ylidene)-2-oxo-N-phenyl-indoline-1-carbothioamide CAS Name: (3Z)-3-(2-azepanylidene)-2-oxo-N-phenyl-1-indolecarbothioamide IUPAC Name: (3Z)-3-(azepan-2-ylidene)-2-oxo-N-phenylindole-1-carbothioamide Traditional Name: (3Z)-3-(azepan-2-ylidene)-2-keto-N-phenyl-indoline-1-carbothioamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC/C(=C/2\C3=CC=CC=C3N(C2=O)C(=S)NC4=CC=CC=C4)/NCC1

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/h1,3-4,6-7,9-11,13,22H,2,5,8,12,14H2,(H,23,26)/b19-17-