1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-p-phenetyl-thiourea Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C(C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H](C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N5O2S2/c1-3-26-14-10-8-13(9-11-14)21-18(27)24-23-17(25)12(2)20-19-22-15-6-4-5-7-16(15)28-19/h4-12H,3H2,1-2H3,(H,20,22)(H,23,25)(H2,21,24,27)/t12-/m0/s1