1-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea

Systemtic Name: 1-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylamino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[[3-nitro-4-(p-tolylsulfanyl)benzoyl]amino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[[3-nitro-4-(p-tolylthio)benzoyl]amino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC(=S)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC(=S)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S3/c1-14-4-7-17(8-5-14)31-19-9-6-15(13-18(19)25(27)28)20(26)23-24-21(29)22-11-10-16-3-2-12-30-16/h2-9,12-13H,10-11H2,1H3,(H,23,26)(H2,22,24,29)