2-(3,4-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(3,4-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(3,4-dimethylphenoxy)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(3,4-dimethylphenoxy)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C21H25N3O2S/c1-15-5-10-19(13-16(15)2)26-14-20(25)23-21(27)22-17-6-8-18(9-7-17)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,22,23,25,27)