N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-chloro-2-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=C(C(=CC=C2)Cl)N3CCOCC3)C

Isomeric SMILES

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

InChI

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