methyl 4-[[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[oxo-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

InChI

InChI=1S/C18H21N5O4S/c1-27-15(24)5-2-8-19-18(28)22-21-16(25)11-6-7-12-13(10-11)20-14-4-3-9-23(14)17(12)26/h6-7,10H,2-5,8-9H2,1H3,(H,21,25)(H2,19,22,28)