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

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-isopentyl-thiourea CAS Name: 1-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]-3-isoamyl-thiourea Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-12(2)7-9-19-18(26)21-20-15(23)8-10-22-16(24)11-13-5-3-4-6-14(13)17(22)25/h3-6,12H,7-11H2,1-2H3,(H,20,23)(H2,19,21,26)