N-[2-[[2-(2,5-dihydropyrrol-1-yl)-4-methoxy-cyclohexyl]-methyl-carbamothioyl]phenyl]ethanamide

Systemtic Name: N-[2-[[2-(2,5-dihydropyrrol-1-yl)-4-methoxy-cyclohexyl]-methyl-carbamothioyl]phenyl]ethanamide Openeye Name: N-[2-[[2-(2,5-dihydropyrrol-1-yl)-4-methoxy-cyclohexyl]-methyl-carbamothioyl]phenyl]acetamide CAS Name: N-[2-[[[2-(2,5-dihydropyrrol-1-yl)-4-methoxycyclohexyl]-methylamino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[2-[[2-(2,5-dihydropyrrol-1-yl)-4-methoxycyclohexyl]-methylcarbamothioyl]phenyl]acetamide Traditional Name: N-[2-[[4-methoxy-2-(3-pyrrolin-1-yl)cyclohexyl]-methyl-thiocarbamoyl]phenyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=S)N(C)C2CCC(CC2N3CC=CC3)OC

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=S)N(C)C2CCC(CC2N3CC=CC3)OC

InChI

InChI=1S/C21H29N3O2S/c1-15(25)22-18-9-5-4-8-17(18)21(27)23(2)19-11-10-16(26-3)14-20(19)24-12-6-7-13-24/h4-9,16,19-20H,10-14H2,1-3H3,(H,22,25)