3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea

Systemtic Name: 3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Openeye Name: 3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)C(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2S/c1-4-5-7-16-10-12-18(13-11-16)21-20(26)22(3)15(2)17-8-6-9-19(14-17)23(24)25/h6,8-15H,4-5,7H2,1-3H3,(H,21,26)/t15-/m1/s1