1-[(4-butoxy-3-chloranyl-phenyl)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-[(4-butoxy-3-chloranyl-phenyl)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-[(4-butoxy-3-chloro-phenyl)methyl]-3-[(E)-(4-nitrophenyl)methyleneamino]thiourea CAS Name: 1-[(4-butoxy-3-chlorophenyl)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-[(4-butoxy-3-chlorophenyl)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(4-butoxy-3-chloro-benzyl)-3-[(E)-(4-nitrobenzylidene)amino]thiourea Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-2-3-10-27-18-9-6-15(11-17(18)20)12-21-19(28)23-22-13-14-4-7-16(8-5-14)24(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H2,21,23,28)/b22-13+