1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(2-morpholin-4-ylethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(2-morpholin-4-ylethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-morpholinoethyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-[2-(4-morpholinyl)ethyl]thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-(2-morpholin-4-ylethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-morpholinoethyl)thiourea Formula: C19H29ClN4OS MolecularWeight: 396.97776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCN3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCN3CCOCC3

InChI

InChI=1S/C19H29ClN4OS/c20-16-5-6-18(24-8-3-1-2-4-9-24)17(15-16)22-19(26)21-7-10-23-11-13-25-14-12-23/h5-6,15H,1-4,7-14H2,(H2,21,22,26)