[2-[[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[2-(azepan-1-yl)-2-(3-thienyl)ethyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[2-(azepan-1-yl)-2-(3-thienyl)ethyl]carbamoyl]phenyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-16(24)26-20-9-5-4-8-18(20)21(25)22-14-19(17-10-13-27-15-17)23-11-6-2-3-7-12-23/h4-5,8-10,13,15,19H,2-3,6-7,11-12,14H2,1H3,(H,22,25)