methyl N-[[6-azanylidene-5-(naphthalen-2-ylmethyl)-4-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[6-azanylidene-5-(naphthalen-2-ylmethyl)-4-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzoyl-6-imino-5-(2-naphthylmethyl)cyclohexa-2,4-dien-1-yl]carbamothioyl]carbamate CAS Name: N-[[[4-benzoyl-6-imino-5-(2-naphthalenylmethyl)-1-cyclohexa-2,4-dienyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-benzoyl-6-imino-5-(naphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]carbamothioyl]carbamate Traditional Name: N-[[4-benzoyl-6-imino-5-(2-naphthylmethyl)cyclohexa-2,4-dien-1-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1C=CC(=C(C1=N)CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)NC(=S)NC1C=CC(=C(C1=N)CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c1-33-27(32)30-26(34)29-23-14-13-21(25(31)19-8-3-2-4-9-19)22(24(23)28)16-17-11-12-18-7-5-6-10-20(18)15-17/h2-15,23,28H,16H2,1H3,(H2,29,30,32,34)