N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[6-[[4-(dimethylamino)-3-nitro-benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S2/c1-25(2)17-8-3-13(9-18(17)26(28)29)11-22-15-6-7-16-19(10-15)31-21(24-16)30-12-20(27)23-14-4-5-14/h3,6-11,14H,4-5,12H2,1-2H3,(H,23,27)