N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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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)N3CCOCC3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C

InChI

InChI=1S/C20H22ClN3O2S/c1-13-3-4-15(11-14(13)2)19(25)23-20(27)22-16-5-6-18(17(21)12-16)24-7-9-26-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,25,27)