1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(3-methoxyphenyl)amino]ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(3-methoxyphenyl)amino]ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methoxyanilino)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methoxyanilino)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-methoxyanilino)acetyl]amino]thiourea Traditional Name: 1-[[2-(m-anisidino)acetyl]amino]-3-piperonyl-thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)NCC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N4O4S/c1-24-14-4-2-3-13(8-14)19-10-17(23)21-22-18(27)20-9-12-5-6-15-16(7-12)26-11-25-15/h2-8,19H,9-11H2,1H3,(H,21,23)(H2,20,22,27)