3-(8-iodanyl-2-oxidanylidene-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(8-iodanyl-2-oxidanylidene-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(8-iodo-2-oxo-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-(8-iodo-2-oxo-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile IUPAC Name: 3-(8-iodo-2-oxo-7-thiomorpholin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(8-iodo-2-keto-7-thiomorpholino-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Formula: C20H17IN4OS MolecularWeight: 488.34465

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)I

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)I

InChI

InChI=1S/C20H17IN4OS/c21-15-9-17-18(10-19(15)25-4-6-27-7-5-25)23-16(11-20(26)24-17)14-3-1-2-13(8-14)12-22/h1-3,8-10H,4-7,11H2,(H,24,26)