1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O3S/c25-19(12-24-9-3-5-15-4-1-2-6-16(15)24)22-23-20(28)21-11-14-7-8-17-18(10-14)27-13-26-17/h1-2,4,6-8,10H,3,5,9,11-13H2,(H,22,25)(H2,21,23,28)