3-chloranyl-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-14-4-7-16(12-18(14)21)19(25)23-20(26)22-17-8-5-15(6-9-17)13-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H2,22,23,25,26)