(Z)-2-(4-butoxyphenyl)carbonyl-3-oxidanyl-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-butoxyphenyl)carbonyl-3-oxidanyl-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enenitrile Openeye Name: (Z)-2-(4-butoxybenzoyl)-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]prop-2-enenitrile CAS Name: (Z)-2-[(4-butoxyphenyl)-oxomethyl]-3-hydroxy-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]-2-propenenitrile IUPAC Name: (Z)-2-(4-butoxybenzoyl)-3-hydroxy-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enenitrile Traditional Name: (Z)-2-(4-butoxybenzoyl)-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]acrylonitrile Formula: C24H25N3O3S2 MolecularWeight: 467.6036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(=C(N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C)O)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)/C(=C(/N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C)\O)/C#N

InChI

InChI=1S/C24H25N3O3S2/c1-4-5-12-30-18-9-6-16(7-10-18)22(28)19(14-25)23(29)27(15(2)3)17-8-11-20-21(13-17)32-24(31)26-20/h6-11,13,15,29H,4-5,12H2,1-3H3,(H,26,31)/b23-19-