1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-phenyl-thiourea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-phenyl-thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)vinylamino]-3-phenyl-thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-phenylthiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-phenylthiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)vinylamino]-3-phenyl-thiourea Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC2=C(C=C1)OCO2)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C=C(C1=CC2=C(C=C1)OCO2)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-11(12-7-8-14-15(9-12)21-10-20-14)18-19-16(22)17-13-5-3-2-4-6-13/h2-9,18H,1,10H2,(H2,17,19,22)