N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S3/c1-3-25-13-8-9-14-15(12-13)27-18(19-14)20-16(22)6-4-10-21(2)28(23,24)17-7-5-11-26-17/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,19,20,22)