N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H26N2O3S2/c1-17-14-18(2)24-22(15-17)26-25(32-24)27(16-20-6-4-12-30-20)23(28)7-5-13-31-21-10-8-19(29-3)9-11-21/h4,6,8-12,14-15H,5,7,13,16H2,1-3H3