N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-phenylsulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-oxolanylmethyl)-2-(phenylthio)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-phenylsulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(tetrahydrofurfuryl)propionamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1CCCO1)C2=NC3=CC=CC=C3S2)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CC1CCCO1)C2=NC3=CC=CC=C3S2)SC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c1-15(26-17-9-3-2-4-10-17)20(24)23(14-16-8-7-13-25-16)21-22-18-11-5-6-12-19(18)27-21/h2-6,9-12,15-16H,7-8,13-14H2,1H3