1-[(4-dimethylaminophenyl)methyl]-3-(4-nitrophenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-3-(4-nitrophenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-(4-nitrophenyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-(4-nitrophenyl)-1-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-3-(4-nitrophenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-(4-nitrophenyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c1-23(2)18-9-5-16(6-10-18)14-24(15-20-4-3-13-28-20)21(29)22-17-7-11-19(12-8-17)25(26)27/h5-12,20H,3-4,13-15H2,1-2H3,(H,22,29)/t20-/m1/s1