N-butyl-2-[[6-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[6-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[6-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[6-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-butyl-2-[[6-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[6-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c1-2-3-8-21-19(26)12-29-20-23-16-6-4-14(10-18(16)30-20)22-11-13-9-15(24(27)28)5-7-17(13)25/h4-7,9-11,22H,2-3,8,12H2,1H3,(H,21,26)