3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-ethyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-piperonyl-thiourea Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-2-24(11-18-22-15-6-4-3-5-14(15)19(25)23-18)20(28)21-10-13-7-8-16-17(9-13)27-12-26-16/h3-9H,2,10-12H2,1H3,(H,21,28)(H,22,23,25)