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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29N3O2S2/c1-19(2)23-9-6-10-24-26(23)29-27(34-24)30(18-20-8-4-5-16-28-20)25(31)11-7-17-33-22-14-12-21(32-3)13-15-22/h4-6,8-10,12-16,19H,7,11,17-18H2,1-3H3