N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-furylmethyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(2-furanylmethyl)-4-[(4-methoxyphenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-furfuryl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N2O3S2/c1-18(2)22-8-4-9-23-25(22)27-26(33-23)28(17-20-7-5-15-31-20)24(29)10-6-16-32-21-13-11-19(30-3)12-14-21/h4-5,7-9,11-15,18H,6,10,16-17H2,1-3H3