(phenylmethyl) N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-oxidanyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-oxidanyl-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[[5-(azepan-1-ylmethyl)-2-thienyl]-hydroxy-methyl]propyl]carbamate CAS Name: N-[1-[5-(1-azepanylmethyl)-2-thiophenyl]-1-hydroxybutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-hydroxybutan-2-yl]carbamate Traditional Name: N-[1-[[5-(azepan-1-ylmethyl)-2-thienyl]-hydroxy-methyl]propyl]carbamic acid benzyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3S/c1-2-20(24-23(27)28-17-18-10-6-5-7-11-18)22(26)21-13-12-19(29-21)16-25-14-8-3-4-9-15-25/h5-7,10-13,20,22,26H,2-4,8-9,14-17H2,1H3,(H,24,27)