N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-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)N(CCC(=O)N)CC2=CC=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)I

InChI

InChI=1S/C19H20IN3O2S/c1-13-7-8-15(11-16(13)20)18(25)22-19(26)23(10-9-17(21)24)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,21,24)(H,22,25,26)