3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(3-morpholinopropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-[3-(4-morpholinyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1-(3-morpholinopropyl)-1-(2-thenyl)thiourea Formula: C21H34N4O2S2 MolecularWeight: 438.65026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C21H34N4O2S2/c26-20(24-9-3-1-2-4-10-24)17-22-21(28)25(18-19-7-5-16-29-19)11-6-8-23-12-14-27-15-13-23/h5,7,16H,1-4,6,8-15,17-18H2,(H,22,28)