1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-methyl-4-nitro-phenyl)thiourea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-methyl-4-nitro-phenyl)thiourea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-methyl-4-nitrophenyl)thiourea IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-4-12(2)14-5-7-15(8-6-14)19-18(24)20-17-10-9-16(21(22)23)11-13(17)3/h5-12H,4H2,1-3H3,(H2,19,20,24)/t12-/m0/s1