1-[(4-methoxyphenyl)methyl]-3-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(methylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-[[4-(methylamino)-3-nitro-benzoyl]amino]-3-p-anisyl-thiourea Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-18-14-8-5-12(9-15(14)22(24)25)16(23)20-21-17(27)19-10-11-3-6-13(26-2)7-4-11/h3-9,18H,10H2,1-2H3,(H,20,23)(H2,19,21,27)