1-(4-butylphenyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(Z)-1-(4-mesylphenyl)ethylideneamino]thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O2S2/c1-4-5-6-16-7-11-18(12-8-16)21-20(26)23-22-15(2)17-9-13-19(14-10-17)27(3,24)25/h7-14H,4-6H2,1-3H3,(H2,21,23,26)/b22-15-