1-[(E)-5-methylhexan-2-ylideneamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(E)-5-methylhexan-2-ylideneamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(E)-1,4-dimethylpentylideneamino]-3-(2-morpholino-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[(E)-5-methylhexan-2-ylideneamino]-3-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-5-methylhexan-2-ylideneamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-1,4-dimethylpentylideneamino]-3-(2-morpholino-5-morpholinosulfonyl-phenyl)thiourea Formula: C22H35N5O4S2 MolecularWeight: 497.6744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3)C

Isomeric SMILES

CC(C)CC/C(=N/NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3)/C

InChI

InChI=1S/C22H35N5O4S2/c1-17(2)4-5-18(3)24-25-22(32)23-20-16-19(33(28,29)27-10-14-31-15-11-27)6-7-21(20)26-8-12-30-13-9-26/h6-7,16-17H,4-5,8-15H2,1-3H3,(H2,23,25,32)/b24-18+