propan-2-yl N-[4-[2-(dimethylamino)ethanoylamino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate

Systemtic Name: propan-2-yl N-[4-[2-(dimethylamino)ethanoylamino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate Openeye Name: isopropyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate CAS Name: N-[4-[[2-(dimethylamino)-1-oxoethyl]amino]-3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate Traditional Name: N-[3-(carbethoxythiocarbamoylamino)-4-[[2-(dimethylamino)acetyl]amino]phenyl]carbamic acid isopropyl ester Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)NC(=O)OC(C)C)NC(=O)CN(C)C

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)NC(=O)OC(C)C)NC(=O)CN(C)C

InChI

InChI=1S/C18H27N5O5S/c1-6-27-17(25)22-16(29)21-14-9-12(19-18(26)28-11(2)3)7-8-13(14)20-15(24)10-23(4)5/h7-9,11H,6,10H2,1-5H3,(H,19,26)(H,20,24)(H2,21,22,25,29)