N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-2-3-5-11-8-9-13-15(10-11)28-20(22-13)23-19(25)18-16(21)12-6-4-7-14(24(26)27)17(12)29-18/h4,6-10H,2-3,5H2,1H3,(H,22,23,25)