N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-pentoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-2-amoxy-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-2-3-9-16-29-20-13-8-7-12-19(20)22(28)25-23(30)26(15-14-21(24)27)17-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H2,24,27)(H,25,28,30)