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

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]thiourea Traditional Name: 1-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C

InChI

InChI=1S/C21H31N5O2S/c1-4-5-6-9-15(2)14-22-21(29)25-24-19(27)13-12-18-23-17-11-8-7-10-16(17)20(28)26(18)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,24,27)(H2,22,25,29)/t15-/m0/s1