2-chloranyl-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide CAS Name: 2-chloro-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)C

InChI

InChI=1S/C18H16ClN3O3S/c1-10(2)11-4-7-15-16(8-11)26-18(21(15)3)20-17(23)13-9-12(22(24)25)5-6-14(13)19/h4-10H,1-3H3