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

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H22IN3O2S MolecularWeight: 495.37705

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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)CCC(=O)N(C)C)I

Isomeric SMILES

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

InChI

InChI=1S/C20H22IN3O2S/c1-13-4-8-15(12-17(13)21)19(26)23-20(27)22-16-9-5-14(6-10-16)7-11-18(25)24(2)3/h4-6,8-10,12H,7,11H2,1-3H3,(H2,22,23,26,27)