5-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-3-10-23(12-15-8-9-18(21)27-15)13-20(26)24-14(2)11-19(25)22-16-6-4-5-7-17(16)24/h3-9,14H,1,10-13H2,2H3,(H,22,25)