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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(3-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=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

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