1-(4-morpholin-4-ylsulfonylphenyl)-3-[(E)-1-phenylbutylideneamino]thiourea

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(E)-1-phenylbutylideneamino]thiourea Openeye Name: 1-(4-morpholinosulfonylphenyl)-3-[(E)-1-phenylbutylideneamino]thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-3-[(E)-1-phenylbutylideneamino]thiourea IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(E)-1-phenylbutylideneamino]thiourea Traditional Name: 1-(4-morpholinosulfonylphenyl)-3-[(E)-1-phenylbutylideneamino]thiourea Formula: C21H26N4O3S2 MolecularWeight: 446.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N\NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S2/c1-2-6-20(17-7-4-3-5-8-17)23-24-21(29)22-18-9-11-19(12-10-18)30(26,27)25-13-15-28-16-14-25/h3-5,7-12H,2,6,13-16H2,1H3,(H2,22,24,29)/b23-20+