1-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

InChI

InChI=1S/C18H25N5O2S/c1-3-4-7-12-19-18(26)22-21-16(24)11-10-15-20-14-9-6-5-8-13(14)17(25)23(15)2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,21,24)(H2,19,22,26)