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

Systemtic Name: 1-(3-ethylphenyl)-3-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[oxo-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)methyl]amino]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C21H21N5O2S/c1-2-13-5-3-6-15(11-13)22-21(29)25-24-19(27)14-8-9-16-17(12-14)23-18-7-4-10-26(18)20(16)28/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,24,27)(H2,22,25,29)