1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea

Systemtic Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea Openeye Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea CAS Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloro-5-nitrophenyl)-1-methylthiourea IUPAC Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloro-5-nitrophenyl)-1-methylthiourea Traditional Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea Formula: C17H15ClN4O2S2 MolecularWeight: 406.9096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O2S2/c1-10(16-19-13-5-3-4-6-15(13)26-16)21(2)17(25)20-14-9-11(22(23)24)7-8-12(14)18/h3-10H,1-2H3,(H,20,25)/t10-/m1/s1