N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-keto-butyl]thiophene-3-carboxamide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C17H17N3O2S2/c21-15(6-3-8-18-17(22)12-7-9-23-11-12)19-10-16-20-13-4-1-2-5-14(13)24-16/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,18,22)(H,19,21)