5-(aminocarbonylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]pentanamide

Systemtic Name: 5-(aminocarbonylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]pentanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-5-ureido-pentanamide CAS Name: 5-(carbamoylamino)-N-[4-[(3,4-dimethylphenyl)thio]phenyl]pentanamide IUPAC Name: 5-(carbamoylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]pentanamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-5-ureido-valeramide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCCNC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCCNC(=O)N)C

InChI

InChI=1S/C20H25N3O2S/c1-14-6-9-18(13-15(14)2)26-17-10-7-16(8-11-17)23-19(24)5-3-4-12-22-20(21)25/h6-11,13H,3-5,12H2,1-2H3,(H,23,24)(H3,21,22,25)