N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N2O3S2/c1-3-32-22-13-16-24-25(18-22)34-27(28-24)29(19-20-8-5-4-6-9-20)26(30)10-7-17-33-23-14-11-21(31-2)12-15-23/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3