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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

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