1-(4-morpholin-4-ylsulfonylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-morpholinosulfonylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C19H27N5O5S2 MolecularWeight: 469.57818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H27N5O5S2/c25-17(14-23-9-3-1-2-4-18(23)26)21-22-19(30)20-15-5-7-16(8-6-15)31(27,28)24-10-12-29-13-11-24/h5-8H,1-4,9-14H2,(H,21,25)(H2,20,22,30)