3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 3-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29N3O2S/c1-3-17-30(18-4-2)26(32)22-12-8-13-23(19-22)28-27(33)29-25(31)16-15-21-11-7-10-20-9-5-6-14-24(20)21/h5-16,19H,3-4,17-18H2,1-2H3,(H2,28,29,31,33)/b16-15+