4-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]thiobenzaldehyde

Systemtic Name: 4-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]thiobenzaldehyde Openeye Name: 4-[5-[3-(azepin-1-yl)propyl-(1-naphthylmethyl)amino]isoxazol-3-yl]thiobenzaldehyde CAS Name: 4-[5-[3-(1-azepinyl)propyl-(1-naphthalenylmethyl)amino]-3-isoxazolyl]thiobenzaldehyde IUPAC Name: 4-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]thiobenzaldehyde Traditional Name: 4-[5-[3-(azepin-1-yl)propyl-(1-naphthylmethyl)amino]isoxazol-3-yl]thiobenzaldehyde Formula: C30H27N3OS MolecularWeight: 477.61988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=C(C=C5)C=S

Isomeric SMILES

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=C(C=C5)C=S

InChI

InChI=1S/C30H27N3OS/c35-23-24-13-15-26(16-14-24)29-21-30(34-31-29)33(20-8-19-32-17-5-1-2-6-18-32)22-27-11-7-10-25-9-3-4-12-28(25)27/h1-7,9-18,21,23H,8,19-20,22H2