3-phenylpropyl 5-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O4S/c1-29(2)24(31)17-16-21-11-6-13-22(19-21)27-26(34)28-23(30)14-7-15-25(32)33-18-8-12-20-9-4-3-5-10-20/h3-6,9-11,13,19H,7-8,12,14-18H2,1-2H3,(H2,27,28,30,34)