1-(2-methoxy-4-nitro-phenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NC3=C(S2)CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NC3=C(S2)CCCC3

InChI

InChI=1S/C15H16N4O3S2/c1-22-12-8-9(19(20)21)6-7-10(12)16-14(23)18-15-17-11-4-2-3-5-13(11)24-15/h6-8H,2-5H2,1H3,(H2,16,17,18,23)