N-[3-[[5-(azepan-1-ylmethyl)furan-2-yl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Systemtic Name: N-[3-[[5-(azepan-1-ylmethyl)furan-2-yl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: N-[3-[[5-(azepan-1-ylmethyl)-2-furyl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: N-[3-[[[5-(1-azepanylmethyl)-2-furanyl]methylamino]-oxomethyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: N-[3-[[5-(azepan-1-ylmethyl)furan-2-yl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: N-[3-[[5-(azepan-1-ylmethyl)-2-furyl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=C(O3)CN4CCCCCC4

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=C(O3)CN4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-18-23(33-14-13-31-18)25(30)27-20-8-6-7-19(15-20)24(29)26-16-21-9-10-22(32-21)17-28-11-4-2-3-5-12-28/h6-10,15H,2-5,11-14,16-17H2,1H3,(H,26,29)(H,27,30)