1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)thiourea Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S2/c1-11(16-19-14-5-3-4-6-15(14)25-16)20(2)17(24)18-12-7-9-13(10-8-12)21(22)23/h3-11H,1-2H3,(H,18,24)/t11-/m1/s1