1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-isopropylphenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea Traditional Name: 1-p-cumenyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S2/c1-12(2)14-4-6-15(7-5-14)21-19(27)23-22-18(26)20-10-13-3-8-16-17(9-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H2,20,22,26)(H2,21,23,27)