1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(4-sec-butylphenyl)propyl]thiourea CAS Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(4-sec-butylphenyl)propyl]thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-5-14(3)15-7-9-16(10-8-15)18(6-2)22-21(28)23-19-12-11-17(24(25)26)13-20(19)27-4/h7-14,18H,5-6H2,1-4H3,(H2,22,23,28)