1-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-cyclopentyl-thiourea Openeye Name: 1-cyclopentyl-3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]thiourea CAS Name: 1-cyclopentyl-3-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]thiourea Traditional Name: 1-cyclopentyl-3-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]thiourea Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H22N4O3S/c23-15(20-21-18(26)19-13-6-2-3-7-13)9-10-22-16(24)11-12-5-1-4-8-14(12)17(22)25/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,20,23)(H2,19,21,26)