1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-22-13-4-2-3-12(8-13)19-17(26)21-20-16(25)18-9-11-5-6-14-15(7-11)24-10-23-14/h2-8H,9-10H2,1H3,(H2,18,20,25)(H2,19,21,26)