3-(1H-indol-3-yl)-N-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]propanamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-3-(1H-indol-3-yl)propanamide CAS Name: 3-(1H-indol-3-yl)-N-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]propanamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-3-(1H-indol-3-yl)propionamide Formula: C28H25N5O3S MolecularWeight: 511.5948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H25N5O3S/c34-25(15-14-20-17-29-23-12-6-4-10-21(20)23)32-33-27(36)22-11-5-7-13-24(22)31-28(33)37-18-26(35)30-16-19-8-2-1-3-9-19/h1-13,17,29H,14-16,18H2,(H,30,35)(H,32,34)