2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide Traditional Name: 2-[3-(1,2-benzothiazol-3-ylmethyl)-2,4-diketo-5-phenyl-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide Formula: C35H32N4O4S MolecularWeight: 604.71798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NSC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NSC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C35H32N4O4S/c1-23(2)38(25-17-19-26(43-3)20-18-25)33(40)22-37-30-14-8-9-15-31(30)39(24-11-5-4-6-12-24)35(42)28(34(37)41)21-29-27-13-7-10-16-32(27)44-36-29/h4-20,23,28H,21-22H2,1-3H3