3-(4-nitrophenyl)-1-(phenylmethyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea

Systemtic Name: 3-(4-nitrophenyl)-1-(phenylmethyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea Openeye Name: 1-benzyl-1-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 3-(4-nitrophenyl)-1-(phenylmethyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea IUPAC Name: 1-benzyl-3-(4-nitrophenyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea Traditional Name: 1-benzyl-1-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC1=CC=CS1)N(CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O2S2/c1-16(14-20-8-5-13-28-20)23(15-17-6-3-2-4-7-17)21(27)22-18-9-11-19(12-10-18)24(25)26/h2-13,16H,14-15H2,1H3,(H,22,27)/t16-/m1/s1