1-heptan-2-yl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-heptan-2-yl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(1-methylhexyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-heptan-2-yl-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-heptan-2-yl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-methylhexyl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H29N3O3S2/c1-3-4-5-6-15(2)19-18(25)20-16-7-9-17(10-8-16)26(22,23)21-11-13-24-14-12-21/h7-10,15H,3-6,11-14H2,1-2H3,(H2,19,20,25)