1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-cyanoethyl)-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-cyanoethyl)-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(2-cyanoethyl)-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-cyanoethyl)-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-cyanoethyl)-3-(3-methoxyphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-[(E)-piperonylideneamino]thiourea Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCC#N)N=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCC#N)/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18N4O3S/c1-24-16-5-2-4-15(11-16)22-19(27)23(9-3-8-20)21-12-14-6-7-17-18(10-14)26-13-25-17/h2,4-7,10-12H,3,9,13H2,1H3,(H,22,27)/b21-12+