N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C20H18BrN3O2S2 MolecularWeight: 476.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C20H18BrN3O2S2/c1-11-4-5-14(8-12(11)2)18(25)23-19(27)24-20-22-16(10-28-20)13-6-7-17(26-3)15(21)9-13/h4-10H,1-3H3,(H2,22,23,24,25,27)