1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)thiourea Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c1-9-6-13-14(7-10(9)2)24-16(18-13)19-15(23)17-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H2,17,18,19,23)