1-[7-[3-[bis(azanyl)methylideneamino]propoxy]-4-oxidanylidene-quinolizin-3-yl]-3-[2-(phenylsulfonylamino)propyl]urea

Systemtic Name: 1-[7-[3-[bis(azanyl)methylideneamino]propoxy]-4-oxidanylidene-quinolizin-3-yl]-3-[2-(phenylsulfonylamino)propyl]urea Openeye Name: 1-[2-(benzenesulfonamido)propyl]-3-[7-(3-guanidinopropoxy)-4-oxo-quinolizin-3-yl]urea CAS Name: 1-[2-(benzenesulfonamido)propyl]-3-[7-[3-(diaminomethylideneamino)propoxy]-4-oxo-3-quinolizinyl]urea IUPAC Name: 1-[2-(benzenesulfonamido)propyl]-3-[7-[3-(diaminomethylideneamino)propoxy]-4-oxoquinolizin-3-yl]urea Traditional Name: 1-[2-(benzenesulfonamido)propyl]-3-[7-(3-guanidinopropoxy)-4-keto-quinolizin-3-yl]urea Formula: C23H29N7O5S MolecularWeight: 515.58526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=CC=C2C=CC(=CN2C1=O)OCCCN=C(N)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)NC1=CC=C2C=CC(=CN2C1=O)OCCCN=C(N)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N7O5S/c1-16(29-36(33,34)19-6-3-2-4-7-19)14-27-23(32)28-20-11-9-17-8-10-18(15-30(17)21(20)31)35-13-5-12-26-22(24)25/h2-4,6-11,15-16,29H,5,12-14H2,1H3,(H4,24,25,26)(H2,27,28,32)