1-(3-methylsulfanylpropyl)-3-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[oxo-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)methyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiourea Traditional Name: 1-[(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C17H21N5O2S2 MolecularWeight: 391.51094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2

InChI

InChI=1S/C17H21N5O2S2/c1-26-9-3-7-18-17(25)21-20-15(23)11-5-6-12-13(10-11)19-14-4-2-8-22(14)16(12)24/h5-6,10H,2-4,7-9H2,1H3,(H,20,23)(H2,18,21,25)