N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfanyl-benzamide Openeye Name: 3-isopropylsulfanyl-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(propan-2-ylthio)benzamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfanylbenzamide Traditional Name: 3-(isopropylthio)-N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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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-])CCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-13(2)28-16-6-4-5-14(11-16)19(24)21-20-22(9-10-27-3)17-12-15(23(25)26)7-8-18(17)29-20/h4-8,11-13H,9-10H2,1-3H3