3-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]thiophene-2-carboxamide Openeye Name: 3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]thiophene-2-carboxamide CAS Name: 3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]thiophene-2-carboxamide Traditional Name: 3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]thiophene-2-carboxamide Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=C(C=CS2)N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=C(C=CS2)N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H25N5OS2/c21-16-7-14-27-18(16)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)