N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H17N3O3S2/c1-2-15(21)19-11-5-6-13-14(8-11)25-17(20-13)24-10-16(22)18-9-12-4-3-7-23-12/h3-8H,2,9-10H2,1H3,(H,18,22)(H,19,21)