N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(cycloheptylamino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(cycloheptylamino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(cycloheptylamino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(cycloheptylamino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-19(23-16-7-3-1-2-4-8-16)14-22-20(27)15-9-10-17-18(13-15)28-21(24-17)25-11-5-6-12-25/h5-6,9-13,16H,1-4,7-8,14H2,(H,22,27)(H,23,26)