1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-propyl-thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-propyl-thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-propyl-thiourea CAS Name: 1-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-propylthiourea IUPAC Name: 1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-propylthiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-propyl-thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C(C)C

Isomeric SMILES

CCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C(C)C

InChI

InChI=1S/C16H21N5O2S/c1-4-9-17-16(24)19-18-14(22)13-11-7-5-6-8-12(11)15(23)21(20-13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,22)(H2,17,19,24)