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methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-cyclohexylsulfanyl-methylidene]carbamate

methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-cyclohexylsulfanyl-methylidene]carbamate

Systemtic Name:methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-cyclohexylsulfanyl-methylidene]carbamate
Openeye Name:methyl (NZ)-N-[(2-acetamido-5-butyl-anilino)-cyclohexylsulfanyl-methylene]carbamate
CAS Name:(NZ)-N-[(2-acetamido-5-butylanilino)-(cyclohexylthio)methylidene]carbamic acid methyl ester
IUPAC Name:methyl (NZ)-N-[(2-acetamido-5-butylanilino)-cyclohexylsulfanylmethylidene]carbamate
Traditional Name:(NZ)-N-[(2-acetamido-5-butyl-anilino)-(cyclohexylthio)methylene]carbamic acid methyl ester
Formula: C21H31N3O3S
MolecularWeight: 405.55414
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)C)NC(=NC(=O)OC)SC2CCCCC2


Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)C)N/C(=N/C(=O)OC)/SC2CCCCC2


InChI

InChI=1S/C21H31N3O3S/c1-4-5-9-16-12-13-18(22-15(2)25)19(14-16)23-20(24-21(26)27-3)28-17-10-7-6-8-11-17/h12-14,17H,4-11H2,1-3H3,(H,22,25)(H,23,24,26)


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