1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)thiourea Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S2/c1-13-5-10-18-19(11-13)29-20(24-18)14-6-8-15(9-7-14)22-21(28)23-16-3-2-4-17(12-16)25(26)27/h2-12H,1H3,(H2,22,23,28)