2-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(2,4-dichlorobenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(2,4-dichlorobenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C21H17Cl2N3O2S2 MolecularWeight: 478.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H17Cl2N3O2S2/c1-11-16(9-12-5-3-2-4-6-12)30-20(17(11)18(24)27)26-21(29)25-19(28)14-8-7-13(22)10-15(14)23/h2-8,10H,9H2,1H3,(H2,24,27)(H2,25,26,28,29)