N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C21H16Cl2N4O3S MolecularWeight: 475.34774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N4O3S/c22-11-6-7-13-15(10-11)31-17(16(13)23)20(29)24-8-3-9-25-21(30)18-26-14-5-2-1-4-12(14)19(28)27-18/h1-2,4-7,10H,3,8-9H2,(H,24,29)(H,25,30)(H,26,27,28)