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

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-tert-butyl-thiourea Openeye Name: 1-tert-butyl-3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]thiourea CAS Name: 1-tert-butyl-3-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]thiourea Traditional Name: 1-tert-butyl-3-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]thiourea Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H22N4O3S/c1-17(2,3)18-16(25)20-19-13(22)8-9-21-14(23)10-11-6-4-5-7-12(11)15(21)24/h4-7H,8-10H2,1-3H3,(H,19,22)(H2,18,20,25)