4-[2-(benzo[e][1,3]benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(benzo[e][1,3]benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(benzo[e][1,3]benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-benzo[e][1,3]benzothiazolylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(benzo[e][1,3]benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(benzo[e][1,3]benzothiazol-2-ylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c21-19(26)12-6-7-15(14(9-12)24(27)28)29-10-17(25)22-20-23-18-13-4-2-1-3-11(13)5-8-16(18)30-20/h1-9H,10H2,(H2,21,26)(H,22,23,25)