1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]thiourea Formula: C17H18N4O3S2 MolecularWeight: 390.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S2/c22-8-9-26-16-7-6-14(10-15(16)21(23)24)12-19-20-17(25)18-11-13-4-2-1-3-5-13/h1-7,10,12,22H,8-9,11H2,(H2,18,20,25)/b19-12+