N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methoxypropyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methoxypropyl)-5-[[4-(methylthio)phenyl]carbamoylamino]-2-pyrrolidino-benzamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

InChI

InChI=1S/C23H30N4O3S/c1-30-15-5-12-24-22(28)20-16-18(8-11-21(20)27-13-3-4-14-27)26-23(29)25-17-6-9-19(31-2)10-7-17/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,28)(H2,25,26,29)