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

Systemtic Name: 1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-phenyl-urea Openeye Name: 1-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]-3-phenyl-urea CAS Name: 1-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-3-phenylurea IUPAC Name: 1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-phenylurea Traditional Name: 1-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]-3-phenyl-urea Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-15-7-10-18(11-8-15)29-20-12-9-16(13-19(20)25(27)28)14-22-24-21(26)23-17-5-3-2-4-6-17/h2-14H,1H3,(H2,23,24,26)/b22-14+