N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C19H20IN3O2S MolecularWeight: 481.35047

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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)CC(=O)N(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C)I

InChI

InChI=1S/C19H20IN3O2S/c1-12-4-7-14(11-16(12)20)18(25)22-19(26)21-15-8-5-13(6-9-15)10-17(24)23(2)3/h4-9,11H,10H2,1-3H3,(H2,21,22,25,26)