3-(2-chloranyl-5-nitro-phenyl)-1-[(1S)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(1S)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-[(1S)-1-cyclopropylethyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(1S)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)-1-[(1S)-1-cyclopropylethyl]thiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-[(1S)-1-cyclopropylethyl]thiourea Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C1CC1)N(CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-13(15-7-8-15)22(12-14-5-3-2-4-6-14)19(26)21-18-11-16(23(24)25)9-10-17(18)20/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,21,26)/t13-/m0/s1