N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4S2/c1-24(2)8-9-25(21-23-18-15(30-3)6-5-14(22)19(18)32-21)20(27)17-11-12-10-13(26(28)29)4-7-16(12)31-17/h4-7,10-11H,8-9H2,1-3H3