N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C)N4CCCC4

InChI

InChI=1S/C23H26N6O2S/c1-16-12-19(8-9-20(16)29-10-3-4-11-29)26-22(31)17-6-5-7-18(13-17)25-21(30)14-32-23-27-24-15-28(23)2/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,25,30)(H,26,31)