1-(5-methoxy-2-methyl-4-nitro-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(5-methoxy-2-methyl-4-nitro-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5-methoxy-2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(5-methoxy-2-methyl-4-nitrophenyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(5-methoxy-2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-benzyl-3-(5-methoxy-2-methyl-4-nitro-phenyl)thiourea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-11-8-14(19(20)21)15(22-2)9-13(11)18-16(23)17-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H2,17,18,23)