3,5-bis(chloranyl)-2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C19H19Cl2N3O2S MolecularWeight: 424.34406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)Cl)Cl

InChI

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