1-(2-methoxy-4-nitro-phenyl)-3-(4-piperidin-1-ylcarbonylphenyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-piperidin-1-ylcarbonylphenyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-[oxo(1-piperidinyl)methyl]phenyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H22N4O4S/c1-28-18-13-16(24(26)27)9-10-17(18)22-20(29)21-15-7-5-14(6-8-15)19(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H2,21,22,29)