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

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-3-isoamyl-thiourea Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H22N4O3S/c1-11(2)7-8-18-17(25)20-19-14(22)10-21-15(23)9-12-5-3-4-6-13(12)16(21)24/h3-6,11H,7-10H2,1-2H3,(H,19,22)(H2,18,20,25)