1-(4-butylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C21H25N3O4S/c1-3-4-5-14-6-8-16(9-7-14)22-21(29)24-23-20(25)15-12-17(26-2)19-18(13-15)27-10-11-28-19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)(H2,22,24,29)