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

Systemtic Name: N-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-(2-amino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-[(2-amino-2-oxoethyl)thio]-1-indolyl]ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-[(2-amino-2-keto-ethyl)thio]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N)C

InChI

InChI=1S/C21H23N3O2S/c1-14-7-8-16(11-15(14)2)21(26)23-9-10-24-12-19(27-13-20(22)25)17-5-3-4-6-18(17)24/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,25)(H,23,26)