1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]thiourea Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O2S2/c1-16-7-10-19(11-8-16)30-21-12-9-18(13-20(21)26(27)28)15-24-25-22(29)23-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H2,23,25,29)/b24-15+