1-[4-(azepan-1-ylcarbonyl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-yl-ethyl]urea

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-[2-(diethylamino)-2-(3-thienyl)ethyl]urea CAS Name: 1-[4-[1-azepanyl(oxo)methyl]phenyl]-3-[2-(diethylamino)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-ylethyl]urea Traditional Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-[2-(diethylamino)-2-(3-thienyl)ethyl]urea Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2)C3=CSC=C3

InChI

InChI=1S/C24H34N4O2S/c1-3-27(4-2)22(20-13-16-31-18-20)17-25-24(30)26-21-11-9-19(10-12-21)23(29)28-14-7-5-6-8-15-28/h9-13,16,18,22H,3-8,14-15,17H2,1-2H3,(H2,25,26,30)