N-(4-ethylphenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[[6-[[3-nitro-4-(2-pyridylsulfanyl)phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[[6-[[3-nitro-4-(2-pyridinylthio)phenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[[6-[[3-nitro-4-(2-pyridylthio)benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C29H23N5O3S3 MolecularWeight: 585.71962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C29H23N5O3S3/c1-2-19-6-9-21(10-7-19)32-27(35)18-38-29-33-23-12-11-22(16-26(23)40-29)31-17-20-8-13-25(24(15-20)34(36)37)39-28-5-3-4-14-30-28/h3-17H,2,18H2,1H3,(H,32,35)