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

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfanyl-benzamide Openeye Name: 3-isopropylsulfanyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(propan-2-ylthio)benzamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfanylbenzamide Traditional Name: 3-(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=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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