N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-4-pentoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-4-amoxy-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

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