N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanyl-benzamide Openeye Name: 4-isopropylsulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(propan-2-ylthio)benzamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanylbenzamide Traditional Name: 4-(isopropylthio)-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O3S2/c1-11(2)25-14-7-4-12(5-8-14)17(22)19-18-20(3)15-10-13(21(23)24)6-9-16(15)26-18/h4-11H,1-3H3