methyl N'-(phenylsulfonyl)-N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamimidothioate

Systemtic Name: methyl N'-(phenylsulfonyl)-N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamimidothioate Openeye Name: 1-[[N-(benzenesulfonyl)-C-methylsulfanyl-carbonimidoyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: N'-(benzenesulfonyl)-N-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamimidothioate Traditional Name: 1-[[N-besyl-C-(methylthio)carbonimidoyl]amino]-3-p-cumenyl-thiourea Formula: C18H22N4O2S3 MolecularWeight: 422.58788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=NS(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=NS(=O)(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H22N4O2S3/c1-13(2)14-9-11-15(12-10-14)19-17(25)20-21-18(26-3)22-27(23,24)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,22)(H2,19,20,25)