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

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-p-cumenyl-thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NC1=CC=C(C=C1)C(C)C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N5OS2/c1-12(2)14-8-10-15(11-9-14)22-19(27)25-24-18(26)13(3)21-20-23-16-6-4-5-7-17(16)28-20/h4-13H,1-3H3,(H,21,23)(H,24,26)(H2,22,25,27)/t13-/m0/s1