N-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[3-(2-amino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[3-[(2-amino-2-oxoethyl)thio]-1-indolyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-[(2-amino-2-keto-ethyl)thio]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-17-8-7-14(11-18(17)28-2)21(26)23-9-10-24-12-19(29-13-20(22)25)15-5-3-4-6-16(15)24/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,25)(H,23,26)