N-[ethyl-[1-(phenylmethyl)pyrrolidin-3-yl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[ethyl-[1-(phenylmethyl)pyrrolidin-3-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(1-benzylpyrrolidin-3-yl)-ethyl-carbamothioyl]-4-methyl-benzamide CAS Name: N-[[ethyl-[1-(phenylmethyl)-3-pyrrolidinyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(1-benzylpyrrolidin-3-yl)-ethylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[(1-benzylpyrrolidin-3-yl)-ethyl-thiocarbamoyl]-4-methyl-benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3OS/c1-3-25(22(27)23-21(26)19-11-9-17(2)10-12-19)20-13-14-24(16-20)15-18-7-5-4-6-8-18/h4-12,20H,3,13-16H2,1-2H3,(H,23,26,27)