8-(cyclopropylcarbamothioylamino)-N-[(E)-3-phenylprop-2-enyl]-8,9-dihydro-7H-phenalene-1-carbothioamide

Systemtic Name: 8-(cyclopropylcarbamothioylamino)-N-[(E)-3-phenylprop-2-enyl]-8,9-dihydro-7H-phenalene-1-carbothioamide Openeye Name: N-[(E)-cinnamyl]-8-(cyclopropylcarbamothioylamino)-8,9-dihydro-7H-phenalene-1-carbothioamide CAS Name: 8-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-N-[(E)-3-phenylprop-2-enyl]-8,9-dihydro-7H-phenalene-1-carbothioamide IUPAC Name: 8-(cyclopropylcarbamothioylamino)-N-[(E)-3-phenylprop-2-enyl]-8,9-dihydro-7H-phenalene-1-carbothioamide Traditional Name: N-[(E)-cinnamyl]-8-(cyclopropylthiocarbamoylamino)-8,9-dihydro-7H-phenalene-1-carbothioamide Formula: C27H27N3S2 MolecularWeight: 457.65338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)NC2CC3=CC=CC4=C3C(=C(C=C4)C(=S)NCC=CC5=CC=CC=C5)C2

Isomeric SMILES

C1CC1NC(=S)NC2CC3=CC=CC4=C3C(=C(C=C4)C(=S)NC/C=C/C5=CC=CC=C5)C2

InChI

InChI=1S/C27H27N3S2/c31-26(28-15-5-8-18-6-2-1-3-7-18)23-14-11-19-9-4-10-20-16-22(17-24(23)25(19)20)30-27(32)29-21-12-13-21/h1-11,14,21-22H,12-13,15-17H2,(H,28,31)(H2,29,30,32)/b8-5+