2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1S)-1-cyclopropylethyl]benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1S)-1-cyclopropylethyl]benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-[(1S)-1-cyclopropylethyl]benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-[(1S)-1-cyclopropylethyl]benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1-cyclopropylethyl]benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-[(1S)-1-cyclopropylethyl]benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@@H](C1CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3O2S/c1-14(16-9-10-16)23-21(26)18-7-2-3-8-19(18)27-13-20(25)24-17-6-4-5-15(11-17)12-22/h2-8,11,14,16H,9-10,13H2,1H3,(H,23,26)(H,24,25)/t14-/m0/s1