N-[8-(cyclopropylcarbamothioylamino)-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxy-benzamide

Systemtic Name: N-[8-(cyclopropylcarbamothioylamino)-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxy-benzamide Openeye Name: N-[8-(cyclopropylcarbamothioylamino)-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxy-benzamide CAS Name: N-[8-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxybenzamide IUPAC Name: N-[8-(cyclopropylcarbamothioylamino)-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxybenzamide Traditional Name: N-[8-(cyclopropylthiocarbamoylamino)-8,9-dihydro-7H-phenalen-1-yl]-4-ethoxy-benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C3CC(CC4=CC=CC(=C43)C=C2)NC(=S)NC5CC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C3CC(CC4=CC=CC(=C43)C=C2)NC(=S)NC5CC5

InChI

InChI=1S/C26H27N3O2S/c1-2-31-21-11-6-17(7-12-21)25(30)29-23-13-8-16-4-3-5-18-14-20(15-22(23)24(16)18)28-26(32)27-19-9-10-19/h3-8,11-13,19-20H,2,9-10,14-15H2,1H3,(H,29,30)(H2,27,28,32)