3-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C19H19Cl2N3O2S MolecularWeight: 424.34406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O2S/c1-26-17-7-4-12(10-15(17)21)18(25)23-19(27)22-13-5-6-16(14(20)11-13)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,23,25,27)