N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

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